(E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide

C18H17N3O10S2 — CID 57480489

IUPAC(E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide
SMILESCOc1ccc(/C=C/S(=O)(=O)NS(=O)(=O)/C=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O10S2/c1-30-17-5-3-13(11-15(17)20(22)23)7-9-32(26,27)19-33(28,29)10-8-14-4-6-18(31-2)16(12-14)21(24)25/h3-12,19H,1-2H3/b9-7+,10-8+
InChIKeyQPOWNXPWXOUQDP-FIFLTTCUSA-N
MW499.48 g/mol
LogP2.41
Rot. Bonds10

About (E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide

(E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide (PubChem CID 57480489) has the molecular formula C18H17N3O10S2 and a molecular weight of 499.48 g/mol. Its IUPAC name is (E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide
PubChem CID57480489
Molecular FormulaC18H17N3O10S2
Molecular Weight499.48 g/mol
Exact Mass499.04
IUPAC Name(E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide
SMILESCOc1ccc(/C=C/S(=O)(=O)NS(=O)(=O)/C=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H17N3O10S2/c1-30-17-5-3-13(11-15(17)20(22)23)7-9-32(26,27)19-33(28,29)10-8-14-4-6-18(31-2)16(12-14)21(24)25/h3-12,19H,1-2H3/b9-7+,10-8+
InChIKeyQPOWNXPWXOUQDP-FIFLTTCUSA-N
XLogP2.41
TPSA185.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene
CID 11000537
4-methoxy-3-nitrobenzaldehyde
CID 700608
3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol
CID 25050820
4-(4-methoxy-3-nitrophenyl)but-3-enenitrile
CID 170800367
(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide
CID 91684043
4-(4-methoxy-3-nitrophenyl)-N-[2-(4-methoxy-3-nitrophenyl)ethenyl]-2-oxobut-3-ene-1-sulfonamide
CID 173173903
1-methoxy-4-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylmethyl]-2-nitrobenzene
CID 54578536
(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide
CID 1487582
(E)-1-(4-iodophenyl)-3-(4-methoxy-3-nitrophenyl)prop-2-en-1-one
CID 5287289
4-methoxy-N-methyl-3-nitroaniline
CID 4183507
4-[3-(3,5-dimethoxyphenyl)prop-1-enyl]-1-methoxy-2-nitrobenzene
CID 69347901
N,4-dimethoxy-3-nitrobenzenesulfonamide
CID 60700810

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide?
The IUPAC name of (E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide (CID 57480489) is (E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide?
The canonical SMILES for (E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide is COc1ccc(/C=C/S(=O)(=O)NS(=O)(=O)/C=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-].
What is the InChIKey of (E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide?
The InChIKey is QPOWNXPWXOUQDP-FIFLTTCUSA-N. The full InChI is InChI=1S/C18H17N3O10S2/c1-30-17-5-3-13(11-15(17)20(22)23)7-9-32(26,27)19-33(28,29)10-8-14-4-6-18(31-2)16(12-14)21(24)25/h3-12,19H,1-2H3/b9-7+,10-8+.
What are the key properties of (E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide?
(E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide has a molecular weight of 499.48 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide is sourced from PubChem (CID 57480489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).